Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8566384 | 0.80 | IDO1 (0.46) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL10331596 | 0.80 | IDO1 (0.46) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL9790105 | 0.78 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL29018029 | 0.78 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL7643271 | 0.78 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL24337242 | 0.78 | IDO1 (0.44) | IDO1CYP1A2CYP2A6TAAR1ACHE | |
| SCHEMBL1121849 | 0.78 | TRPA1 (0.47) | IDO1TAAR1AGXT | |
| SCHEMBL20187556 | 0.76 | SLC6A4 (0.54) | IDO1CYP2A6TAAR1AGXTPPARG | |
| SCHEMBL459370 | 0.75 | EPHX1 (0.50) | CYP1A2CYP2A6TAAR1ALDH1A1KMT2A | |
| SCHEMBL196656 | 0.72 | PTGS1 (0.48) | IDO1CYP1A2CYP2A6TAAR1ACHE |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005007614-A1 | MONOAMINE OXIDASE INHIBITORS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 6011 (US) | 2005-01-27 | — | — | WO | disclosed |